1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine

C163H190N28O9S3 — CID 159268423

IUPAC1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine
SMILESCC(C)c1cc(-c2cnn(C)c2)on1.CC(C)c1cc2ccc(C#N)cc2[nH]1.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)CC(=O)C(=O)N2.CC(C)c1ccc2c(c1)CC(=O)CS2.CC(C)c1ccc2cccc(O)c2n1.CC(C)c1cn2cc(C#N)ccc2n1.CC(C)c1cn2ccc(C(N)=O)cc2n1.CC(C)c1cn2cccc(C(N)=O)c2n1.CCn1c(=O)c(C)nc2cc(C(C)C)ccc21.Cc1c(-c2cc(C(C)C)[nH]n2)cnn1C.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C14H18N2O.C12H14N2S.C12H12N2.C12H13NO2.2C12H13NO.C12H13NS.C12H14OS.C11H16N4.2C11H13N3O.C11H11N3.C11H14N2.C10H13N3O/c1-5-16-13-7-6-11(9(2)3)8-12(13)15-10(4)14(16)17;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)11-6-10-4-3-9(7-13)5-12(10)14-11;1-7(2)8-3-4-10-9(5-8)6-11(14)12(15)13-10;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-7(2)10-5-11(14-13-10)9-6-12-15(4)8(9)3;1-7(2)9-6-14-4-3-8(11(12)15)5-10(14)13-9;1-7(2)9-6-14-5-3-4-8(10(12)15)11(14)13-9;1-8(2)10-7-14-6-9(5-12)3-4-11(14)13-10;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-4-10(14-12-9)8-5-11-13(3)6-8/h6-9H,5H2,1-4H3;3-8H,1-2H3,(H2,13,14);3-6,8,14H,1-2H3;3-5,7H,6H2,1-2H3,(H,13,15);3-8H,1-2H3,(H,13,14);3-8,14H,1-2H3;3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,1-4H3,(H,13,14);2*3-7H,1-2H3,(H2,12,15);3-4,6-8H,1-2H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
InChIKeyKXJYLXNACDIFJR-UHFFFAOYSA-N
MW2781.70 g/mol
LogP36.95
Rot. Bonds21

About 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine

1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine (PubChem CID 159268423) has the molecular formula C163H190N28O9S3 and a molecular weight of 2781.70 g/mol. Its IUPAC name is 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine
PubChem CID159268423
Molecular FormulaC163H190N28O9S3
Molecular Weight2781.70 g/mol
Exact Mass2779.44
IUPAC Name1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine
SMILESCC(C)c1cc(-c2cnn(C)c2)on1.CC(C)c1cc2ccc(C#N)cc2[nH]1.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)CC(=O)C(=O)N2.CC(C)c1ccc2c(c1)CC(=O)CS2.CC(C)c1ccc2cccc(O)c2n1.CC(C)c1cn2cc(C#N)ccc2n1.CC(C)c1cn2ccc(C(N)=O)cc2n1.CC(C)c1cn2cccc(C(N)=O)c2n1.CCn1c(=O)c(C)nc2cc(C(C)C)ccc21.Cc1c(-c2cc(C(C)C)[nH]n2)cnn1C.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C14H18N2O.C12H14N2S.C12H12N2.C12H13NO2.2C12H13NO.C12H13NS.C12H14OS.C11H16N4.2C11H13N3O.C11H11N3.C11H14N2.C10H13N3O/c1-5-16-13-7-6-11(9(2)3)8-12(13)15-10(4)14(16)17;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)11-6-10-4-3-9(7-13)5-12(10)14-11;1-7(2)8-3-4-10-9(5-8)6-11(14)12(15)13-10;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-7(2)10-5-11(14-13-10)9-6-12-15(4)8(9)3;1-7(2)9-6-14-4-3-8(11(12)15)5-10(14)13-9;1-7(2)9-6-14-5-3-4-8(10(12)15)11(14)13-9;1-8(2)10-7-14-6-9(5-12)3-4-11(14)13-10;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-4-10(14-12-9)8-5-11-13(3)6-8/h6-9H,5H2,1-4H3;3-8H,1-2H3,(H2,13,14);3-6,8,14H,1-2H3;3-5,7H,6H2,1-2H3,(H,13,15);3-8H,1-2H3,(H,13,14);3-8,14H,1-2H3;3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,1-4H3,(H,13,14);2*3-7H,1-2H3,(H2,12,15);3-4,6-8H,1-2H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3
InChIKeyKXJYLXNACDIFJR-UHFFFAOYSA-N
XLogP36.95
TPSA536.39 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002781.70
LogP ≤ 536.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-5-propan-2-ylbenzimidazole);1-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;1-methyl-4-propan-2-ylisoquinoline;5-methyl-2-propan-2-ylphenol;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;4-propan-2-ylcyclohexa-2,4-dien-1-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one
CID 161702747
CID 157886358
CID 157886358
1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
CID 158970489
3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol
CID 159145664
7-methyl-6-propan-2-ylnaphthalen-1-ol;4-(5-methyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;4-(5-phenyl-4-propan-2-yltriazol-1-yl)-1,2,5-oxadiazol-3-amine;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;5-(4-propan-2-ylphenyl)-1H-pyrazole;4-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]pyridine;4-(4-propan-2-ylphenyl)pyridine;6-propan-2-yl-1H-quinolin-2-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine
CID 159914144
1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;5-(3-propan-2-ylphenyl)pyridine-3-carbonitrile;3-(4-propan-2-ylphenyl)-2H-pyrrole;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
CID 160156486
3-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-imidazol-1-yl-5-propan-2-ylaniline;2-methyl-6-propan-2-yl-1H-benzimidazole;5-methyl-3-(3-propan-2-ylphenyl)-1,2,4-oxadiazole;5-methyl-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-2-pyrazin-2-yl-1,3-thiazole;1-(2-nitro-4-propan-2-ylphenyl)imidazole;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-yl-1H-indole-6-carbonitrile;5-(4-propan-2-ylphenyl)-1H-pyrazole;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one
CID 162030544

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine?
The IUPAC name of 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine (CID 159268423) is 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine.
What is the SMILES notation for 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine?
The canonical SMILES for 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine is CC(C)c1cc(-c2cnn(C)c2)on1.CC(C)c1cc2ccc(C#N)cc2[nH]1.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)CC(=O)C(=O)N2.CC(C)c1ccc2c(c1)CC(=O)CS2.CC(C)c1ccc2cccc(O)c2n1.CC(C)c1cn2cc(C#N)ccc2n1.CC(C)c1cn2ccc(C(N)=O)cc2n1.CC(C)c1cn2cccc(C(N)=O)c2n1.CCn1c(=O)c(C)nc2cc(C(C)C)ccc21.Cc1c(-c2cc(C(C)C)[nH]n2)cnn1C.Cc1nc2ccc(C(C)C)cc2[nH]1.
What is the InChIKey of 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine?
The InChIKey is KXJYLXNACDIFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C12H14N2S.C12H12N2.C12H13NO2.2C12H13NO.C12H13NS.C12H14OS.C11H16N4.2C11H13N3O.C11H11N3.C11H14N2.C10H13N3O/c1-5-16-13-7-6-11(9(2)3)8-12(13)15-10(4)14(16)17;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)11-6-10-4-3-9(7-13)5-12(10)14-11;1-7(2)8-3-4-10-9(5-8)6-11(14)12(15)13-10;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-7(2)10-5-11(14-13-10)9-6-12-15(4)8(9)3;1-7(2)9-6-14-4-3-8(11(12)15)5-10(14)13-9;1-7(2)9-6-14-5-3-4-8(10(12)15)11(14)13-9;1-8(2)10-7-14-6-9(5-12)3-4-11(14)13-10;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-4-10(14-12-9)8-5-11-13(3)6-8/h6-9H,5H2,1-4H3;3-8H,1-2H3,(H2,13,14);3-6,8,14H,1-2H3;3-5,7H,6H2,1-2H3,(H,13,15);3-8H,1-2H3,(H,13,14);3-8,14H,1-2H3;3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,1-4H3,(H,13,14);2*3-7H,1-2H3,(H2,12,15);3-4,6-8H,1-2H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3.
What are the key properties of 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine?
1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine has a molecular weight of 2781.70 g/mol, XLogP of 36.95, 21 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methyl-6-propan-2-yl-1H-benzimidazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;6-propan-2-yl-1,4-dihydroquinoline-2,3-dione;2-propan-2-ylimidazo[1,2-a]pyridine-6-carbonitrile;2-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide;2-propan-2-yl-1H-indole-6-carbonitrile;2-propan-2-ylquinolin-8-ol;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine is sourced from PubChem (CID 159268423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).